1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol

C13H17Cl2NO2 — CID 62413983

IUPAC1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESOC(CNC1CCC1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-9-4-5-13(12(15)6-9)18-8-11(17)7-16-10-2-1-3-10/h4-6,10-11,16-17H,1-3,7-8H2
InChIKeyNQMUUKURJDTLBZ-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.88
Rot. Bonds6

About 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol

1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol (PubChem CID 62413983) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
PubChem CID62413983
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESOC(CNC1CCC1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-9-4-5-13(12(15)6-9)18-8-11(17)7-16-10-2-1-3-10/h4-6,10-11,16-17H,1-3,7-8H2
InChIKeyNQMUUKURJDTLBZ-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79870883

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol (CID 62413983) is 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol is OC(CNC1CCC1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
The InChIKey is NQMUUKURJDTLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-9-4-5-13(12(15)6-9)18-8-11(17)7-16-10-2-1-3-10/h4-6,10-11,16-17H,1-3,7-8H2.
What are the key properties of 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol has a molecular weight of 290.19 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 62413983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).